Gas‐Phase Generation and Electronic Structure Investigation of Oxidovanadium Triisocyanate, OV(NCO)3

Oxidovanadium triisocyanate was generated from the heterogeneous reaction of gaseous vanadium trichloride oxide with silver cyanate and studied for the first time in the gas phase. The reaction processes were studied in situ by ultraviolet photoionization mass spectrometry combined with quantum chemical calculations and ultraviolet photoelectron spectrometry. The geometric and electronic structures were characterized and discussed. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

[1]  Robert Stranger,et al.  Optimizing small molecule activation and cleavage in three-coordinate M[N(R)Ar]3 complexes. , 2006, Inorganic chemistry.

[2]  G. Somorjai,et al.  Clusters, surfaces, and catalysis. , 2006, Proceedings of the National Academy of Sciences of the United States of America.

[3]  Maofa Ge,et al.  Gas-phase spectroscopy of the unstable sulfur diisocyanate molecule S(NCO)2. , 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

[4]  Maofa Ge,et al.  First Experimental Observation of Gas‐Phase Nitrosyl Thiocyanate , 2006 .

[5]  L. Operti,et al.  Gas-phase ion chemistry in organometallic systems. , 2006, Mass spectrometry reviews.

[6]  F. Chau,et al.  First experimental observation of the CH3Se radical. , 2005, Chemphyschem : a European journal of chemical physics and physical chemistry.

[7]  H. Schwarz,et al.  Gas-phase catalysis by atomic and cluster metal ions: the ultimate single-site catalysts. , 2005, Angewandte Chemie.

[8]  R. O'hair,et al.  Gas Phase Ion Chemistry of Transition Metal Clusters: Production, Reactivity, and Catalysis , 2004 .

[9]  Ai Xi-cheng,et al.  Reaction of AgN3 with SOCl2: Evidence for the Formation of Thionyl Azide, SO(N3)2 , 2004 .

[10]  R. Prasad A theoretical study of the fine and hyperfine interactions in the NCO and CNO radicals. , 2004, The Journal of chemical physics.

[11]  J. Sauer,et al.  Ion chemistry of OV(OCH3)3 in the gas phase: molecular cations and anions and their primary fragmentations. , 2004, Inorganic chemistry.

[12]  Shenghua Xu,et al.  A Microscopic Approach to Studying Colloidal Stability , 2003 .

[13]  D. Mok,et al.  The diradical (CH3)2CHN and its isomeric molecule (CH3)2C=HN: Generation and characterization , 2003 .

[14]  W. Plass Supramolecular interactions of vanadate species: vanadium(V) complexes with N-salicylidenehydrazides as versatile models , 2003 .

[15]  I. Horváth,et al.  Encyclopedia of catalysis , 2003 .

[16]  G. Koyanagi,et al.  Gas-Phase Reactions of Transition-Metal Ions with Molecular Oxygen: Room-Temperature Kinetics and Periodicities in Reactivity , 2002 .

[17]  D. Randall,et al.  The polyurethanes book , 2002 .

[18]  W. Jing,et al.  The CH3 N Diradical: Experimental and Theoretical Determinations of the Ionization Energies. , 2001, Angewandte Chemie.

[19]  W. Jing,et al.  First experimental observation on different ionic states of the CH3SS radical: A HeI photoelectron spectrum , 2001 .

[20]  D. King,et al.  Response to “Comment on ‘Surface diffusion potential energy surfaces from first principles”’ [J. Chem. Phys. 114, 1051 (2001)] , 2001 .

[21]  P. Armentrout,et al.  Reactions and thermochemistry of small transition metal cluster ions. , 2001, Annual review of physical chemistry.

[22]  Zheng Sun,et al.  First Experimental Observation on Different Ionic States of both Methylthio (CH3S.) and Methoxy (CH3O.) Radicals , 2000 .

[23]  E. G. Hope,et al.  What is the coordination number of vanadium in vanadyl nitrate, VO(NO3)(3)? A study of its molecular structure in the gas phase by electron diffraction and ab initio calculations , 1999 .

[24]  Tibor Pasinszki,et al.  Equilibrium structure of SiH3NCO: Comparison of theory and experiments , 1995 .

[25]  B. Ruscic,et al.  The H–NCO bond energy and ΔH0f (NCO) from photoionization mass spectrometric studies of HNCO and NCO , 1994 .

[26]  A. Becke Density-functional thermochemistry. III. The role of exact exchange , 1993 .

[27]  R. Felty,et al.  Synthesis and reactivity of oxovanadium(V) trialkoxides of bulky and chiral alcohols , 1992 .

[28]  Y. Shechter Insulin-Mimetic Effects of Vanadate: Possible Implications for Future Treatment of Diabetes , 1990, Diabetes.

[29]  N. Westwood,et al.  He I photoelectron spectra of unstable boron isocyanates; electronic and geometric structures in the BClx(NCO)3 –x series , 1990 .

[30]  Parr,et al.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.

[31]  Lorenz S. Cederbaum,et al.  Computational methods for the one-particle green's function , 1984 .

[32]  J. Galy,et al.  VOCl3: Crystallization, crystal structure, and structural relationships: A joint X-ray and 35Cl-NQR investigation , 1983 .

[33]  R. Behrens,et al.  An electron impact mass spectrometry investigation of VOCl3(g), VCl3(g) and their dissociative fragments , 1982 .

[34]  S. Patai The Chemistry of cyanates and their thio derivatives , 1977 .

[35]  A. Hamnett,et al.  He-I photoelectron spectra of some d 0 transition metal compounds , 1974 .

[36]  M. Schmeisser Die Chemie der anorganischen Acylnitrate (ein Problem des Nitrylchlorids) und Acylperchlorate (ein Problem des Dichlorhexoxyds) , 1955 .

[37]  T. Koopmans,et al.  Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms , 1934 .